[4-(2-methylpropanoyloxy)phenyl] 4-(3-fluoranyl-4-prop-1-ynyl-phenyl)benzoate

Systemtic Name: [4-(2-methylpropanoyloxy)phenyl] 4-(3-fluoranyl-4-prop-1-ynyl-phenyl)benzoate Openeye Name: [4-(2-methylpropanoyloxy)phenyl] 4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoate CAS Name: 4-(3-fluoro-4-prop-1-ynylphenyl)benzoic acid [4-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [4-(2-methylpropanoyloxy)phenyl] 4-(3-fluoro-4-prop-1-ynylphenyl)benzoate Traditional Name: 4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoic acid (4-isobutyryloxyphenyl) ester Formula: C26H21FO4 MolecularWeight: 416.440943

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)C(C)C)F

Isomeric SMILES

CC#CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(=O)C(C)C)F

InChI

InChI=1S/C26H21FO4/c1-4-5-19-8-11-21(16-24(19)27)18-6-9-20(10-7-18)26(29)31-23-14-12-22(13-15-23)30-25(28)17(2)3/h6-17H,1-3H3